Author Topic: Modelling Point Charges  (Read 1715 times)

0 Members and 1 Guest are viewing this topic.

Offline paullapham95

  • Regular QuantumATK user
  • **
  • Posts: 5
  • Country: gb
  • Reputation: 0
    • View Profile
Modelling Point Charges
« on: January 13, 2020, 15:07 »
Hello,

I am hoping someone could help. I am trying to model the effect countercations have on a molecule. The countercations in the real system are tetrapropylammonium cations, but due to its size/computational cost, I want to model the countercations as a point charge, is there away to do this?

Thanks